azanyl 2-[3-[3-(2,2-dimethylpropanoylsulfanyl)-3-phenyl-propanoyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: azanyl 2-[3-[3-(2,2-dimethylpropanoylsulfanyl)-3-phenyl-propanoyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: amino 2-[3-[3-(2,2-dimethylpropanoylsulfanyl)-3-phenyl-propanoyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[3-[(2,2-dimethyl-1-oxopropyl)thio]-1-oxo-3-phenylpropyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid amino ester IUPAC Name: amino 2-[3-[3-(2,2-dimethylpropanoylsulfanyl)-3-phenylpropanoyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[2-keto-3-[3-phenyl-3-(pivaloylthio)propanoyl]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid amino ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SC(CC(=O)C1CCC2=CC=CC=C2N(C1=O)CC(=O)ON)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)SC(CC(=O)C1CCC2=CC=CC=C2N(C1=O)CC(=O)ON)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O5S/c1-26(2,3)25(32)34-22(18-10-5-4-6-11-18)15-21(29)19-14-13-17-9-7-8-12-20(17)28(24(19)31)16-23(30)33-27/h4-12,19,22H,13-16,27H2,1-3H3